#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ig3 s LYS 2 N 0.00 0.32 0.08 0.03 1.02 -1.26 -5.00 119.74 114.93 2ig3 s LYS 2 Ca 0.00 -0.47 -0.31 0.00 0.02 0.00 0.00 55.97 55.22 2ig3 s LYS 2 Cb 0.00 -0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.15 2ig3 s LYS 2 CO 0.00 0.01 1.33 -0.06 -0.92 0.00 0.00 175.35 175.71 2ig3 s PHE 3 N -0.96 3.26 -1.98 3.18 0.40 -0.45 -4.76 117.98 116.68 2ig3 s PHE 3 Ca -0.09 1.05 0.20 0.00 -0.60 0.00 0.00 56.93 57.49 2ig3 s PHE 3 Cb -0.07 -3.59 0.03 0.00 0.51 0.00 0.00 43.02 39.90 2ig3 s PHE 3 CO -0.00 -2.03 1.03 0.39 0.70 0.00 0.00 175.22 175.31 2ig3 n GLU 4 N 4.11 1.52 -4.61 0.44 1.02 -1.26 -1.82 120.64 120.05 2ig3 n GLU 4 Ca 0.11 -1.10 -0.23 0.00 -0.02 0.00 0.00 57.16 55.92 2ig3 n GLU 4 Cb 0.44 -1.40 -0.16 0.00 -0.02 0.00 0.00 31.44 30.31 2ig3 n GLU 4 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2ig3 s THR 5 N -2.14 1.09 -0.32 2.62 2.01 -1.26 -4.85 115.64 112.79 2ig3 s THR 5 Ca 0.18 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.39 2ig3 s THR 5 Cb 0.16 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.74 2ig3 s THR 5 CO 0.45 0.32 0.89 -0.63 -0.69 0.00 0.00 174.62 174.96 2ig3 s ILE 6 N 0.04 4.68 0.24 1.82 1.01 -1.26 -4.82 121.20 122.90 2ig3 s ILE 6 Ca -0.02 1.31 0.04 0.00 0.00 0.00 0.00 60.65 61.98 2ig3 s ILE 6 Cb -0.09 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2ig3 s ILE 6 CO 0.01 -0.38 0.24 -0.46 0.00 0.00 0.00 174.94 174.35 2ig3 n ASN 7 N 6.50 -0.63 0.02 3.58 2.04 -1.26 -5.01 115.26 120.50 2ig3 n ASN 7 Ca 0.07 -2.50 0.02 0.00 -0.44 0.00 0.00 54.58 51.72 2ig3 n ASN 7 Cb 0.48 1.36 0.36 0.00 -2.53 0.00 0.00 39.78 39.45 2ig3 n ASN 7 CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 2ig3 h GLN 8 N 0.00 0.49 -0.13 -3.83 5.75 -2.00 -2.04 115.11 113.35 2ig3 h GLN 8 Ca -0.17 -0.07 -0.20 0.00 -0.15 0.00 0.00 58.65 58.05 2ig3 h GLN 8 Cb 0.85 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2ig3 h GLN 8 CO 0.25 0.45 -0.75 1.49 -2.65 0.00 0.00 178.83 177.63 2ig3 h GLU 9 N 0.48 0.63 -0.10 1.69 4.81 -1.97 -2.39 114.58 117.74 2ig3 h GLU 9 Ca 0.11 -0.51 -0.24 0.00 -0.13 0.00 0.00 59.36 58.60 2ig3 h GLU 9 Cb 0.19 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2ig3 h GLU 9 CO -0.00 1.13 -0.87 0.66 -0.73 0.00 0.00 179.01 179.20 2ig3 h SER 10 N 0.44 0.90 0.00 1.04 4.64 -1.84 -2.34 113.55 116.38 2ig3 h SER 10 Ca -0.04 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.65 2ig3 h SER 10 Cb 1.35 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2ig3 h SER 10 CO 0.14 1.43 -0.00 0.40 -0.87 0.00 0.00 176.83 177.93 2ig3 h ILE 11 N 0.47 1.00 -0.77 0.95 2.04 -1.43 -0.19 117.51 119.59 2ig3 h ILE 11 Ca -0.08 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.89 2ig3 h ILE 11 Cb 1.50 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 2ig3 h ILE 11 CO 0.17 0.01 0.36 0.00 0.00 0.00 0.00 178.15 178.69 2ig3 h ALA 12 N 0.99 1.09 -0.53 1.87 0.00 -1.46 0.87 119.26 122.09 2ig3 h ALA 12 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2ig3 h ALA 12 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ig3 h ALA 12 CO 0.00 -0.12 0.12 -0.22 0.00 0.00 0.00 179.25 179.04 2ig3 h LYS 13 N 0.55 0.85 -0.59 0.00 3.64 -1.20 -2.27 116.57 117.54 2ig3 h LYS 13 Ca 0.41 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2ig3 h LYS 13 Cb 0.54 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2ig3 h LYS 13 CO -0.34 0.81 0.33 1.25 -2.27 0.00 0.00 179.45 179.22 2ig3 h LEU 14 N 0.74 0.50 -0.77 5.20 5.85 0.29 -1.83 115.31 125.28 2ig3 h LEU 14 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2ig3 h LEU 14 Cb 0.34 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2ig3 h LEU 14 CO 0.00 0.33 0.49 0.24 -0.34 0.00 0.00 178.44 179.17 2ig3 h MET 15 N 0.63 1.03 -0.15 1.25 2.86 -0.75 0.94 114.93 120.73 2ig3 h MET 15 Ca 0.26 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2ig3 h MET 15 Cb 0.13 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2ig3 h MET 15 CO -0.15 0.70 -0.03 1.49 1.06 0.00 0.00 176.91 179.98 2ig3 h GLU 16 N 1.05 0.29 -0.02 1.72 4.57 -1.13 -1.60 114.58 119.47 2ig3 h GLU 16 Ca 0.28 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2ig3 h GLU 16 Cb -0.08 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2ig3 h GLU 16 CO -0.06 0.56 0.00 0.82 -1.18 0.00 0.00 179.01 179.15 2ig3 h ILE 17 N 0.00 1.24 0.04 2.32 2.04 -1.23 -2.54 117.51 119.38 2ig3 h ILE 17 Ca 0.04 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2ig3 h ILE 17 Cb 0.44 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2ig3 h ILE 17 CO 0.01 0.19 -0.02 0.15 0.00 0.00 0.00 178.15 178.48 2ig3 h PHE 18 N -0.27 -0.05 0.00 1.37 3.57 -0.84 -2.66 116.94 118.06 2ig3 h PHE 18 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2ig3 h PHE 18 Cb 0.31 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2ig3 h PHE 18 CO 0.03 0.11 -0.11 1.88 -2.23 0.00 0.00 178.31 177.99 2ig3 h TYR 19 N -0.21 0.00 -0.80 0.41 -1.99 -1.39 -0.84 116.97 112.15 2ig3 h TYR 19 Ca -0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 2ig3 h TYR 19 Cb 0.19 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 2ig3 h TYR 19 CO -0.02 0.11 0.32 1.49 -0.00 0.00 0.00 178.16 180.05 2ig3 h GLU 20 N 0.00 1.20 -0.22 4.88 4.81 -1.29 -0.86 114.58 123.09 2ig3 h GLU 20 Ca -0.00 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 58.88 2ig3 h GLU 20 Cb 0.62 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2ig3 h GLU 20 CO 0.01 0.97 -0.38 0.87 -0.73 0.00 0.00 179.01 179.75 2ig3 h LYS 21 N 1.17 0.64 -0.62 1.92 1.57 -0.91 -2.80 116.57 117.53 2ig3 h LYS 21 Ca 0.27 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2ig3 h LYS 21 Cb 0.22 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2ig3 h LYS 21 CO -0.02 1.01 0.37 0.28 -0.57 0.00 0.00 179.45 180.52 2ig3 h VAL 22 N 0.33 1.04 -0.56 0.50 2.07 -1.16 -1.76 116.25 116.71 2ig3 h VAL 22 Ca 0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2ig3 h VAL 22 Cb 0.97 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2ig3 h VAL 22 CO 0.09 0.13 0.30 -0.09 0.02 0.00 0.00 177.57 178.02 2ig3 h ARG 23 N 0.71 0.77 0.00 1.57 2.43 -1.11 -2.57 114.38 116.18 2ig3 h ARG 23 Ca 0.26 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2ig3 h ARG 23 Cb 0.07 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2ig3 h ARG 23 CO -0.12 0.57 -0.41 1.63 -1.51 0.00 0.00 179.97 180.13 2ig3 n LYS 24 N -4.39 0.12 -2.46 0.20 5.02 -1.04 -4.61 118.16 110.99 2ig3 n LYS 24 Ca 0.05 0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 2ig3 n LYS 24 Cb 0.10 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 2ig3 n LYS 24 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ig3 s ASP 25 N -3.53 7.25 0.39 4.39 2.15 -0.69 -4.95 116.67 121.67 2ig3 s ASP 25 Ca 0.10 2.25 0.19 0.00 0.43 0.00 0.00 52.55 55.52 2ig3 s ASP 25 Cb 0.16 -2.62 0.79 0.00 -0.30 0.00 0.00 42.92 40.94 2ig3 s ASP 25 CO 0.67 -0.18 1.79 0.07 -0.17 0.00 0.00 175.17 177.35 2ig3 h LYS 26 N 4.08 0.00 0.03 4.34 2.10 -1.91 -1.02 116.57 124.19 2ig3 h LYS 26 Ca -0.46 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 57.80 2ig3 h LYS 26 Cb 1.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.49 2ig3 h LYS 26 CO 0.68 0.34 -2.23 -0.25 -2.00 0.00 0.00 179.45 176.00 2ig3 n ASP 27 N -3.62 1.99 0.10 7.07 9.92 -1.26 -4.55 116.55 126.20 2ig3 n ASP 27 Ca -0.01 0.14 -0.17 0.00 -0.53 0.00 0.00 54.79 54.22 2ig3 n ASP 27 Cb 0.46 -0.69 -0.14 0.00 -0.64 0.00 0.00 41.12 40.10 2ig3 n ASP 27 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ig3 h LEU 28 N -0.37 0.47 -0.25 0.64 3.38 -1.83 -3.37 115.31 113.98 2ig3 h LEU 28 Ca -0.55 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 56.96 2ig3 h LEU 28 Cb 1.78 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 2ig3 h LEU 28 CO -0.15 1.41 -0.46 1.23 0.09 0.00 0.00 178.44 180.56 2ig3 h GLY 29 N 1.45 -0.75 0.89 0.83 0.00 -1.03 -1.85 103.07 102.61 2ig3 h GLY 29 Ca -0.16 0.58 0.05 0.00 0.00 0.00 0.00 47.33 47.79 2ig3 h GLY 29 CO 0.21 -0.20 0.61 -2.55 0.00 0.00 0.00 176.54 174.61 2ig3 h PRO 30 N -0.45 1.09 -0.54 4.80 0.11 -1.77 -1.14 132.00 134.09 2ig3 h PRO 30 Ca 0.09 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 2ig3 h PRO 30 Cb 0.62 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 2ig3 h PRO 30 CO -0.48 0.72 0.33 0.82 -0.21 0.00 0.00 178.00 179.18 2ig3 h ILE 31 N 1.12 1.16 -0.12 4.15 2.04 -1.52 0.12 117.51 124.46 2ig3 h ILE 31 Ca 0.39 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 2ig3 h ILE 31 Cb 0.11 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ig3 h ILE 31 CO -0.13 0.17 -0.30 -0.26 0.00 0.00 0.00 178.15 177.62 2ig3 h PHE 32 N 0.73 0.54 -0.94 1.37 -1.00 -1.18 -2.66 116.94 113.79 2ig3 h PHE 32 Ca 0.20 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.80 2ig3 h PHE 32 Cb -0.02 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 39.39 2ig3 h PHE 32 CO -0.02 0.92 0.62 -0.91 -1.61 0.00 0.00 178.31 177.30 2ig3 h ASN 33 N 0.00 1.04 0.32 2.17 2.35 -1.12 0.18 115.58 120.52 2ig3 h ASN 33 Ca -0.00 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2ig3 h ASN 33 Cb 0.91 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2ig3 h ASN 33 CO 0.07 0.72 -0.37 0.78 -1.65 0.00 0.00 177.43 176.97 2ig3 h ASN 34 N 1.21 0.08 0.13 5.81 -0.26 -0.99 0.11 115.58 121.67 2ig3 h ASN 34 Ca 0.37 -0.03 -0.34 0.00 -0.56 0.00 0.00 56.30 55.74 2ig3 h ASN 34 Cb -0.03 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 2ig3 h ASN 34 CO -0.11 0.45 -1.82 0.00 -1.06 0.00 0.00 177.43 174.88 2ig3 h ALA 35 N 1.56 0.32 0.00 -0.83 0.00 -1.06 -3.41 119.26 115.84 2ig3 h ALA 35 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2ig3 h ALA 35 Cb 0.69 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2ig3 h ALA 35 CO 0.05 1.14 -0.92 0.44 0.00 0.00 0.00 179.25 179.97 2ig3 n ILE 36 N -3.62 0.00 0.00 0.00 -5.35 0.60 -5.10 119.36 105.89 2ig3 n ILE 36 Ca -0.29 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2ig3 n ILE 36 Cb 1.02 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 2ig3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ig3 n GLY 37 N 1.55 1.06 0.15 3.28 0.00 0.37 -4.79 105.19 106.82 2ig3 n GLY 37 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.09 2ig3 n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ig3 n THR 38 N 1.32 0.00 -2.53 2.61 -2.24 -1.26 -4.41 114.28 107.78 2ig3 n THR 38 Ca 0.00 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 2ig3 n THR 38 Cb 0.00 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2ig3 n THR 38 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ig3 s SER 39 N -2.80 6.33 0.34 3.42 1.04 -1.26 -4.93 113.70 115.84 2ig3 s SER 39 Ca 0.14 1.95 0.01 0.00 0.48 0.00 0.00 55.95 58.53 2ig3 s SER 39 Cb 0.17 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 64.33 2ig3 s SER 39 CO 0.70 -0.79 2.00 0.44 0.98 0.00 0.00 173.24 176.57 2ig3 h ASP 40 N 1.58 0.76 0.33 7.02 3.32 -1.99 -1.82 116.42 125.62 2ig3 h ASP 40 Ca -0.49 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.40 2ig3 h ASP 40 Cb 1.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2ig3 h ASP 40 CO 0.59 0.56 -0.53 1.05 -1.72 0.00 0.00 179.24 179.19 2ig3 h GLU 41 N 0.89 0.22 -0.23 3.56 4.11 -1.99 0.28 114.58 121.43 2ig3 h GLU 41 Ca 0.24 -0.13 -0.15 0.00 0.07 0.00 0.00 59.36 59.39 2ig3 h GLU 41 Cb -0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ig3 h GLU 41 CO -0.05 0.70 -0.46 0.93 0.07 0.00 0.00 179.01 180.20 2ig3 h GLU 42 N 0.18 0.60 -0.01 1.06 5.08 -1.75 -1.82 114.58 117.91 2ig3 h GLU 42 Ca 0.00 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 57.81 2ig3 h GLU 42 Cb 0.99 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2ig3 h GLU 42 CO 0.08 0.93 -0.92 -1.49 -1.00 0.00 0.00 179.01 176.61 2ig3 h TRP 43 N 0.48 0.64 -0.21 4.33 4.06 -1.18 -2.59 115.95 121.48 2ig3 h TRP 43 Ca 0.03 -0.34 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 2ig3 h TRP 43 Cb 0.98 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 2ig3 h TRP 43 CO 0.04 1.15 0.12 0.87 -3.56 0.00 0.00 178.44 177.07 2ig3 h LYS 44 N 0.25 0.29 -0.59 0.49 1.57 -0.93 -1.12 116.57 116.53 2ig3 h LYS 44 Ca -0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ig3 h LYS 44 Cb 1.55 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.77 2ig3 h LYS 44 CO 0.16 0.24 0.34 1.49 -0.57 0.00 0.00 179.45 181.11 2ig3 h GLU 45 N 0.25 0.80 0.04 3.15 4.57 -1.38 -0.90 114.58 121.11 2ig3 h GLU 45 Ca 0.07 -0.07 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 2ig3 h GLU 45 Cb 0.03 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2ig3 h GLU 45 CO -0.01 0.57 -1.07 1.25 -1.18 0.00 0.00 179.01 178.56 2ig3 h HIS 46 N 0.81 0.83 -0.96 0.92 2.76 -1.33 0.53 115.15 118.71 2ig3 h HIS 46 Ca 0.21 -0.48 0.04 0.00 -2.20 0.00 0.00 60.37 57.94 2ig3 h HIS 46 Cb -0.01 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 2ig3 h HIS 46 CO 0.00 1.32 0.62 0.87 -1.30 0.00 0.00 177.93 179.44 2ig3 h LYS 47 N 0.28 1.16 -0.30 5.26 1.57 -1.06 0.16 116.57 123.62 2ig3 h LYS 47 Ca -0.13 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 2ig3 h LYS 47 Cb 1.73 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2ig3 h LYS 47 CO 0.20 0.77 -0.09 0.00 -0.57 0.00 0.00 179.45 179.76 2ig3 h ALA 48 N 1.40 0.42 -0.43 3.86 0.00 -1.10 -0.88 119.26 122.54 2ig3 h ALA 48 Ca 0.39 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ig3 h ALA 48 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2ig3 h ALA 48 CO -0.13 0.26 0.24 -0.22 0.00 0.00 0.00 179.25 179.39 2ig3 h LYS 49 N 0.36 0.47 -0.34 0.00 3.64 -0.65 -1.22 116.57 118.82 2ig3 h LYS 49 Ca 0.07 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 2ig3 h LYS 49 Cb 0.58 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2ig3 h LYS 49 CO 0.03 0.31 -0.44 0.82 -2.27 0.00 0.00 179.45 177.90 2ig3 h ILE 50 N 0.48 1.27 -0.68 2.00 1.08 -0.95 -1.28 117.51 119.44 2ig3 h ILE 50 Ca 0.17 -1.61 0.10 0.00 -0.39 0.00 0.00 64.86 63.13 2ig3 h ILE 50 Cb 0.04 1.49 -0.07 0.00 -3.07 0.00 0.00 36.82 35.21 2ig3 h ILE 50 CO -0.10 0.53 0.30 1.23 -0.69 0.00 0.00 178.15 179.43 2ig3 h GLY 51 N 0.70 1.00 1.00 5.37 0.00 -1.10 0.21 103.07 110.26 2ig3 h GLY 51 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2ig3 h GLY 51 CO 0.10 0.01 0.39 -0.57 0.00 0.00 0.00 176.54 176.48 2ig3 h ASN 52 N 0.52 0.73 -0.33 0.19 -1.24 -0.96 0.22 115.58 114.71 2ig3 h ASN 52 Ca 0.34 -0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.35 2ig3 h ASN 52 Cb 0.40 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 2ig3 h ASN 52 CO -0.30 0.56 0.09 0.15 -1.29 0.00 0.00 177.43 176.64 2ig3 h PHE 53 N 0.84 0.15 -0.47 0.67 3.57 -0.45 -2.02 116.94 119.23 2ig3 h PHE 53 Ca 0.22 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2ig3 h PHE 53 Cb -0.05 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2ig3 h PHE 53 CO -0.02 0.05 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.46 2ig3 h TRP 54 N 0.21 0.99 -0.98 0.41 4.06 -0.48 -1.86 115.95 118.31 2ig3 h TRP 54 Ca 0.15 -0.21 0.01 0.00 2.06 0.00 0.00 58.89 60.90 2ig3 h TRP 54 Cb 0.15 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.02 2ig3 h TRP 54 CO -0.16 0.97 0.65 0.00 -3.56 0.00 0.00 178.44 176.34 2ig3 h ALA 55 N 1.04 1.31 0.10 1.49 0.00 -0.40 0.18 119.26 122.97 2ig3 h ALA 55 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ig3 h ALA 55 Cb 0.68 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ig3 h ALA 55 CO 0.05 0.64 -0.05 0.78 0.00 0.00 0.00 179.25 180.68 2ig3 h GLY 56 N 1.32 -0.14 1.59 0.00 0.00 -0.71 -0.78 103.07 104.36 2ig3 h GLY 56 Ca 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 2ig3 h GLY 56 CO -0.08 -0.05 0.05 1.98 0.00 0.00 0.00 176.54 178.44 2ig3 h MET 57 N -0.36 0.52 0.00 4.80 -1.53 -1.00 -1.42 114.93 115.94 2ig3 h MET 57 Ca -0.01 -0.09 -0.22 0.00 -3.44 0.00 0.00 59.70 55.93 2ig3 h MET 57 Cb 0.30 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.22 2ig3 h MET 57 CO 0.02 0.51 -2.15 1.28 0.14 0.00 0.00 176.91 176.71 2ig3 n LEU 58 N -4.32 0.00 0.00 3.39 4.77 0.61 -4.71 117.00 116.74 2ig3 n LEU 58 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2ig3 n LEU 58 Cb 0.21 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2ig3 n LEU 58 CO 0.38 0.30 -0.07 0.18 -1.33 0.00 0.00 177.39 176.86 2ig3 n LEU 59 N -2.52 0.00 -1.00 2.23 4.77 -0.36 -5.01 117.00 115.11 2ig3 n LEU 59 Ca -0.21 -0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 55.44 2ig3 n LEU 59 Cb 0.91 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 2ig3 n LEU 59 CO 0.40 0.00 -0.11 0.61 -1.33 0.00 0.00 177.39 176.96 2ig3 n GLY 60 N 0.80 0.31 3.83 -0.72 0.00 -0.53 -4.98 105.19 103.90 2ig3 n GLY 60 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2ig3 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ig3 s GLU 61 N -4.00 2.26 0.10 1.61 2.02 -0.90 -4.90 118.70 114.90 2ig3 s GLU 61 Ca 0.00 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 53.00 2ig3 s GLU 61 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.23 2ig3 s GLU 61 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2ig3 n GLY 62 N -1.52 -1.50 2.45 -1.39 0.00 -1.26 -1.97 105.19 100.00 2ig3 n GLY 62 Ca -0.04 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2ig3 n GLY 62 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ig3 n ASP 63 N -2.03 3.18 -4.70 1.61 5.75 -1.26 -4.90 116.55 114.20 2ig3 n ASP 63 Ca 0.00 -2.87 -0.42 0.00 -0.01 0.00 0.00 54.79 51.49 2ig3 n ASP 63 Cb 0.20 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 2ig3 n ASP 63 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2ig3 s TYR 64 N -3.69 2.41 -0.00 2.11 6.14 -1.26 -4.86 117.35 118.20 2ig3 s TYR 64 Ca 0.39 0.21 0.04 0.00 0.64 0.00 0.00 57.07 58.34 2ig3 s TYR 64 Cb 0.37 -4.07 0.07 0.00 0.42 0.00 0.00 41.96 38.75 2ig3 s TYR 64 CO -0.00 -4.29 1.03 0.27 0.64 0.00 0.00 175.55 173.20 2ig3 n ASN 65 N 5.32 0.17 -3.91 4.32 0.23 -1.26 -5.00 115.26 115.13 2ig3 n ASN 65 Ca 0.16 -2.00 -0.30 0.00 -0.53 0.00 0.00 54.58 51.91 2ig3 n ASN 65 Cb 0.39 -0.22 0.22 0.00 -2.08 0.00 0.00 39.78 38.09 2ig3 n ASN 65 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2ig3 s GLY 66 N -1.17 1.65 -0.62 4.83 0.00 -1.26 -5.03 107.32 105.72 2ig3 s GLY 66 Ca 0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 2ig3 s GLY 66 CO -0.03 -0.20 0.42 1.20 0.00 0.00 0.00 173.10 174.49 2ig3 s GLN 67 N -5.59 2.45 0.10 2.90 -0.21 -1.26 -5.00 119.66 113.06 2ig3 s GLN 67 Ca 0.72 -2.67 -0.27 0.00 0.02 0.00 0.00 55.36 53.16 2ig3 s GLN 67 Cb -0.07 -3.62 -0.12 0.00 1.00 0.00 0.00 33.01 30.20 2ig3 s GLN 67 CO 0.55 -1.17 1.66 -1.35 -2.12 0.00 0.00 175.29 172.86 2ig3 h PRO 68 N 6.69 -0.45 0.57 2.91 0.11 -2.00 -2.68 132.00 137.17 2ig3 h PRO 68 Ca -0.01 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2ig3 h PRO 68 Cb 0.91 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2ig3 h PRO 68 CO 0.72 -0.30 -0.39 1.25 -0.21 0.00 0.00 178.00 179.07 2ig3 h LEU 69 N -0.46 -1.00 -0.78 2.35 5.85 -2.00 -2.66 115.31 116.59 2ig3 h LEU 69 Ca -0.00 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.96 2ig3 h LEU 69 Cb 0.43 0.31 -0.14 0.00 0.37 0.00 0.00 40.66 41.63 2ig3 h LEU 69 CO -0.05 -0.59 -0.07 0.50 -0.34 0.00 0.00 178.44 177.89 2ig3 h LYS 70 N -0.93 0.05 -0.96 1.25 1.63 -1.99 0.49 116.57 116.12 2ig3 h LYS 70 Ca -0.07 -0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.88 2ig3 h LYS 70 Cb 0.77 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.29 2ig3 h LYS 70 CO 0.04 0.03 0.57 0.87 -3.45 0.00 0.00 179.45 177.51 2ig3 h LYS 71 N 0.05 0.77 0.16 1.90 1.79 -1.15 -0.07 116.57 120.04 2ig3 h LYS 71 Ca 0.41 -0.05 -0.30 0.00 -2.18 0.00 0.00 60.65 58.54 2ig3 h LYS 71 Cb 0.71 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 2ig3 h LYS 71 CO -0.74 0.51 -1.36 0.45 -1.08 0.00 0.00 179.45 177.23 2ig3 h HIS 72 N 0.80 0.63 -0.07 -1.35 3.86 -0.73 -3.15 115.15 115.14 2ig3 h HIS 72 Ca 0.52 -0.46 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2ig3 h HIS 72 Cb 0.69 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2ig3 h HIS 72 CO -0.03 1.38 -0.07 -0.07 0.86 0.00 0.00 177.93 180.01 2ig3 h LEU 73 N 0.09 0.09 -0.32 2.43 3.38 -0.61 -2.78 115.31 117.59 2ig3 h LEU 73 Ca -0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ig3 h LEU 73 Cb 2.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2ig3 h LEU 73 CO 0.22 0.18 -0.19 0.47 0.09 0.00 0.00 178.44 179.20 2ig3 n ASP 74 N -4.40 0.69 -4.78 -0.43 8.00 -0.07 -4.89 116.55 110.66 2ig3 n ASP 74 Ca -0.02 -0.65 -0.34 0.00 0.71 0.00 0.00 54.79 54.49 2ig3 n ASP 74 Cb 0.18 0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2ig3 n ASP 74 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ig3 s LEU 75 N -2.54 3.70 0.53 0.64 1.43 -1.05 -4.99 118.68 116.40 2ig3 s LEU 75 Ca 0.25 2.06 -0.21 0.00 -1.03 0.00 0.00 54.13 55.20 2ig3 s LEU 75 Cb 0.19 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.78 2ig3 s LEU 75 CO 0.51 -1.16 1.07 -2.65 0.23 0.00 0.00 176.35 174.34 2ig3 n PRO 76 N -1.43 1.25 -1.60 1.29 -0.02 -1.26 -4.86 135.00 128.37 2ig3 n PRO 76 Ca 0.11 0.46 -0.47 0.00 -2.02 0.00 0.00 63.50 61.57 2ig3 n PRO 76 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2ig3 n PRO 76 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ig3 n PRO 77 N -0.59 1.36 -3.88 0.52 -0.02 -1.26 -5.02 135.00 126.11 2ig3 n PRO 77 Ca 0.11 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 2ig3 n PRO 77 Cb 0.44 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 2ig3 n PRO 77 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2ig3 s PHE 78 N -0.26 0.05 0.55 6.00 -0.71 -1.26 -5.16 117.98 117.18 2ig3 s PHE 78 Ca 0.70 -0.14 -0.18 0.00 -1.04 0.00 0.00 56.93 56.27 2ig3 s PHE 78 Cb -0.79 -0.05 -0.06 0.00 -1.21 0.00 0.00 43.02 40.90 2ig3 s PHE 78 CO 0.53 -0.28 1.05 -1.25 -1.34 0.00 0.00 175.22 173.93 2ig3 s PRO 79 N -1.36 3.55 0.48 1.99 0.04 -1.26 -4.93 135.00 133.51 2ig3 s PRO 79 Ca -0.14 1.26 0.25 0.00 0.04 0.00 0.00 61.00 62.40 2ig3 s PRO 79 Cb -0.08 -2.06 1.30 0.00 0.04 0.00 0.00 34.50 33.70 2ig3 s PRO 79 CO 0.01 -0.63 1.89 0.37 0.04 0.00 0.00 177.00 178.68 2ig3 h GLN 80 N 0.93 0.17 -1.12 4.56 4.15 -2.01 -1.94 115.11 119.85 2ig3 h GLN 80 Ca -0.48 -0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.24 2ig3 h GLN 80 Cb 1.22 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.78 2ig3 h GLN 80 CO 0.58 0.11 0.73 1.49 -1.93 0.00 0.00 178.83 179.82 2ig3 h GLU 81 N 0.18 0.27 0.00 1.69 4.57 -2.02 0.21 114.58 119.47 2ig3 h GLU 81 Ca 0.42 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2ig3 h GLU 81 Cb 1.37 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2ig3 h GLU 81 CO -0.08 0.18 -0.02 0.74 -1.18 0.00 0.00 179.01 178.65 2ig3 h PHE 82 N 0.28 0.00 -0.16 0.92 0.05 -1.73 -1.63 116.94 114.67 2ig3 h PHE 82 Ca 0.64 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 62.30 2ig3 h PHE 82 Cb 1.84 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.77 2ig3 h PHE 82 CO -0.00 0.02 -0.45 0.74 -0.18 0.00 0.00 178.31 178.44 2ig3 h PHE 83 N 0.00 0.49 -0.58 -0.55 -1.00 -1.16 -0.78 116.94 113.36 2ig3 h PHE 83 Ca -0.00 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 2ig3 h PHE 83 Cb 0.19 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 2ig3 h PHE 83 CO 0.00 0.79 0.32 0.93 -1.61 0.00 0.00 178.31 178.73 2ig3 h GLU 84 N 0.33 0.81 0.07 1.51 5.08 -1.42 -0.37 114.58 120.59 2ig3 h GLU 84 Ca 0.02 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2ig3 h GLU 84 Cb 0.92 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2ig3 h GLU 84 CO 0.08 0.62 -0.03 0.82 -1.00 0.00 0.00 179.01 179.50 2ig3 h ILE 85 N 0.78 1.00 -0.04 3.13 2.04 -1.32 0.22 117.51 123.32 2ig3 h ILE 85 Ca 0.20 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2ig3 h ILE 85 Cb 0.05 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2ig3 h ILE 85 CO -0.03 0.05 -0.32 -0.25 0.00 0.00 0.00 178.15 177.60 2ig3 h TRP 86 N -0.18 -0.89 -0.71 1.37 7.01 -1.07 -0.88 115.95 120.61 2ig3 h TRP 86 Ca -0.01 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 2ig3 h TRP 86 Cb 0.15 0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 2ig3 h TRP 86 CO -0.04 -0.41 0.23 -0.07 -2.79 0.00 0.00 178.44 175.36 2ig3 h LEU 87 N -0.45 1.00 0.24 0.65 3.38 -1.01 0.09 115.31 119.22 2ig3 h LEU 87 Ca 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ig3 h LEU 87 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2ig3 h LEU 87 CO -0.29 0.92 -0.25 0.50 0.09 0.00 0.00 178.44 179.41 2ig3 h LYS 88 N 1.04 -0.51 -0.43 1.13 3.11 -0.68 0.55 116.57 120.77 2ig3 h LYS 88 Ca 0.23 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.08 2ig3 h LYS 88 Cb 0.27 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2ig3 h LYS 88 CO -0.01 -0.34 0.15 -0.07 -2.81 0.00 0.00 179.45 176.37 2ig3 h LEU 89 N -0.53 0.57 -0.14 5.20 3.38 -0.87 -2.17 115.31 120.74 2ig3 h LEU 89 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2ig3 h LEU 89 Cb 0.50 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ig3 h LEU 89 CO -0.06 0.54 -0.01 0.15 0.09 0.00 0.00 178.44 179.15 2ig3 h PHE 90 N 0.62 0.29 -0.96 1.13 3.04 -0.66 -1.95 116.94 118.45 2ig3 h PHE 90 Ca 0.15 -0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.07 2ig3 h PHE 90 Cb 0.17 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 2ig3 h PHE 90 CO 0.01 0.51 0.63 1.49 -2.02 0.00 0.00 178.31 178.93 2ig3 h GLU 91 N -0.01 1.20 -0.45 1.11 4.81 -0.70 -0.31 114.58 120.23 2ig3 h GLU 91 Ca 0.04 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2ig3 h GLU 91 Cb 0.40 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2ig3 h GLU 91 CO 0.01 0.80 0.26 0.93 -0.73 0.00 0.00 179.01 180.27 2ig3 h GLU 92 N 1.24 0.62 -0.70 1.92 5.08 -1.35 -0.84 114.58 120.55 2ig3 h GLU 92 Ca 0.38 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2ig3 h GLU 92 Cb -0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2ig3 h GLU 92 CO -0.11 0.48 0.25 0.77 -1.00 0.00 0.00 179.01 179.40 2ig3 h SER 93 N 0.59 0.99 -0.77 1.42 0.02 -1.01 -2.63 113.55 112.17 2ig3 h SER 93 Ca 0.16 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2ig3 h SER 93 Cb 0.03 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2ig3 h SER 93 CO -0.03 0.91 0.28 -0.07 -1.14 0.00 0.00 176.83 176.78 2ig3 h LEU 94 N 1.01 1.09 -1.37 5.07 3.38 -0.74 -2.18 115.31 121.58 2ig3 h LEU 94 Ca 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2ig3 h LEU 94 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2ig3 h LEU 94 CO -0.01 0.99 0.24 0.78 0.09 0.00 0.00 178.44 180.53 2ig3 h ASN 95 N 1.14 0.60 0.07 -0.43 2.35 -1.02 0.64 115.58 118.93 2ig3 h ASN 95 Ca 0.25 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.80 2ig3 h ASN 95 Cb 0.26 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2ig3 h ASN 95 CO -0.01 0.50 -0.55 0.40 -1.65 0.00 0.00 177.43 176.12 2ig3 h ILE 96 N 0.68 1.33 0.07 2.81 2.04 -1.07 -3.38 117.51 119.99 2ig3 h ILE 96 Ca 0.17 -1.82 -0.38 0.00 1.00 0.00 0.00 64.86 63.84 2ig3 h ILE 96 Cb 0.06 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2ig3 h ILE 96 CO -0.02 0.56 -2.21 0.52 0.00 0.00 0.00 178.15 177.00 2ig3 n VAL 97 N -3.95 1.65 -4.32 1.67 0.31 -0.86 -4.92 118.33 107.92 2ig3 n VAL 97 Ca -0.03 -0.61 -0.25 0.00 -0.01 0.00 0.00 64.34 63.43 2ig3 n VAL 97 Cb 0.60 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 2ig3 n VAL 97 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2ig3 s TYR 98 N -2.54 2.56 0.79 3.52 1.51 0.20 -1.34 117.35 122.05 2ig3 s TYR 98 Ca -0.28 -0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 55.16 2ig3 s TYR 98 Cb 0.08 -1.73 0.13 0.00 -0.11 0.00 0.00 41.96 40.33 2ig3 s TYR 98 CO 0.69 0.36 1.11 0.54 -1.11 0.00 0.00 175.55 177.14 2ig3 s ASN 99 N -3.78 4.12 0.26 2.29 4.22 -0.76 -4.61 114.94 116.68 2ig3 s ASN 99 Ca 0.37 0.13 -0.03 0.00 -2.14 0.00 0.00 52.86 51.20 2ig3 s ASN 99 Cb 0.04 -0.50 0.44 0.00 1.28 0.00 0.00 41.25 42.50 2ig3 s ASN 99 CO 0.20 -2.05 1.82 -0.08 -2.04 0.00 0.00 177.10 174.96 2ig3 h GLU 100 N -0.91 0.86 -0.04 3.55 4.57 -1.95 -1.72 114.58 118.93 2ig3 h GLU 100 Ca -0.42 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2ig3 h GLU 100 Cb 1.27 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2ig3 h GLU 100 CO 0.47 0.57 0.00 1.49 -1.18 0.00 0.00 179.01 180.36 2ig3 h GLU 101 N 0.88 0.07 -0.34 1.92 4.81 -1.96 -2.12 114.58 117.84 2ig3 h GLU 101 Ca 0.43 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2ig3 h GLU 101 Cb 0.37 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2ig3 h GLU 101 CO -0.24 0.33 -0.39 0.52 -0.73 0.00 0.00 179.01 178.49 2ig3 h MET 102 N -0.21 0.82 -0.68 1.92 2.86 -1.87 -2.50 114.93 115.26 2ig3 h MET 102 Ca 0.01 -0.43 0.11 0.00 -2.06 0.00 0.00 59.70 57.33 2ig3 h MET 102 Cb 0.30 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.89 2ig3 h MET 102 CO 0.00 1.06 0.29 -0.22 1.06 0.00 0.00 176.91 179.11 2ig3 h LYS 103 N 0.67 0.48 -0.28 1.72 3.11 -1.27 -1.71 116.57 119.28 2ig3 h LYS 103 Ca 0.05 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.74 2ig3 h LYS 103 Cb 0.96 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 2ig3 h LYS 103 CO 0.09 0.32 -0.37 -0.91 -2.81 0.00 0.00 179.45 175.77 2ig3 h ASN 104 N 0.49 0.65 0.48 4.20 2.35 -1.13 0.11 115.58 122.73 2ig3 h ASN 104 Ca 0.35 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2ig3 h ASN 104 Cb 0.43 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2ig3 h ASN 104 CO -0.32 0.96 -0.34 0.58 -1.65 0.00 0.00 177.43 176.66 2ig3 h VAL 105 N 0.52 0.31 -0.23 2.81 2.07 -1.10 -2.49 116.25 118.14 2ig3 h VAL 105 Ca 0.05 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 2ig3 h VAL 105 Cb 0.87 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2ig3 h VAL 105 CO 0.08 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.89 2ig3 h ILE 106 N -0.80 1.31 -0.13 4.57 2.04 -1.20 -2.87 117.51 120.43 2ig3 h ILE 106 Ca -0.05 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.54 2ig3 h ILE 106 Cb 0.67 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 2ig3 h ILE 106 CO 0.03 0.40 -0.08 0.25 0.00 0.00 0.00 178.15 178.75 2ig3 h LEU 107 N 0.23 -0.26 -1.19 1.44 5.85 -0.86 -0.27 115.31 120.24 2ig3 h LEU 107 Ca 0.04 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2ig3 h LEU 107 Cb 0.70 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2ig3 h LEU 107 CO 0.05 -0.11 0.56 1.56 -0.34 0.00 0.00 178.44 180.16 2ig3 h GLN 108 N -0.08 0.99 -0.00 1.25 4.20 -1.48 0.31 115.11 120.29 2ig3 h GLN 108 Ca 0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2ig3 h GLN 108 Cb 0.20 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2ig3 h GLN 108 CO -0.18 0.66 0.00 -0.09 -0.67 0.00 0.00 178.83 178.55 2ig3 h ARG 109 N 1.02 0.00 -0.78 1.46 9.65 -1.22 -2.02 114.38 122.50 2ig3 h ARG 109 Ca 0.35 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.29 2ig3 h ARG 109 Cb 0.10 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.62 2ig3 h ARG 109 CO -0.11 0.23 0.47 0.00 2.80 0.00 0.00 179.97 183.35 2ig3 h ALA 110 N 0.77 1.06 -0.53 2.80 0.00 -0.30 -1.57 119.26 121.49 2ig3 h ALA 110 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ig3 h ALA 110 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2ig3 h ALA 110 CO 0.00 0.18 0.29 1.96 0.00 0.00 0.00 179.25 181.68 2ig3 h GLN 111 N 0.85 0.74 -0.52 0.00 4.20 -0.38 0.36 115.11 120.36 2ig3 h GLN 111 Ca 0.34 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 2ig3 h GLN 111 Cb 0.18 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2ig3 h GLN 111 CO -0.18 0.58 0.17 1.98 -0.67 0.00 0.00 178.83 180.71 2ig3 h MET 112 N 0.71 0.81 -0.44 1.46 4.05 -1.04 -0.29 114.93 120.19 2ig3 h MET 112 Ca 0.19 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 2ig3 h MET 112 Cb 0.05 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 2ig3 h MET 112 CO -0.03 0.74 -0.02 0.82 0.23 0.00 0.00 176.91 178.65 2ig3 h ILE 113 N 0.72 1.26 -0.41 1.77 2.04 -0.96 -0.90 117.51 121.02 2ig3 h ILE 113 Ca 0.17 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.01 2ig3 h ILE 113 Cb 0.26 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2ig3 h ILE 113 CO -0.01 0.37 0.14 0.00 0.00 0.00 0.00 178.15 178.65 2ig3 h ALA 114 N 0.90 0.48 -0.70 1.87 0.00 -0.15 -1.08 119.26 120.58 2ig3 h ALA 114 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ig3 h ALA 114 Cb 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2ig3 h ALA 114 CO 0.03 -0.25 0.36 1.03 0.00 0.00 0.00 179.25 180.41 2ig3 h SER 115 N 0.30 0.89 -0.46 0.00 0.87 -0.74 -0.06 113.55 114.35 2ig3 h SER 115 Ca 0.19 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2ig3 h SER 115 Cb 0.18 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2ig3 h SER 115 CO -0.20 0.75 0.26 -0.74 -0.53 0.00 0.00 176.83 176.37 2ig3 h HIS 116 N 0.97 0.62 -0.47 2.24 6.17 -0.94 0.46 115.15 124.19 2ig3 h HIS 116 Ca 0.24 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.34 2ig3 h HIS 116 Cb 0.08 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 29.77 2ig3 h HIS 116 CO 0.00 0.45 0.27 0.74 0.71 0.00 0.00 177.93 180.10 2ig3 h PHE 117 N 0.60 0.50 -0.33 5.26 0.05 -0.72 -2.97 116.94 119.33 2ig3 h PHE 117 Ca 0.16 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.98 2ig3 h PHE 117 Cb 0.03 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.80 2ig3 h PHE 117 CO -0.02 0.28 0.19 1.96 -0.18 0.00 0.00 178.31 180.53 2ig3 h GLN 118 N 0.54 0.38 -1.01 1.51 4.20 -0.72 -1.53 115.11 118.48 2ig3 h GLN 118 Ca 0.19 -0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.14 2ig3 h GLN 118 Cb 0.04 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.66 2ig3 h GLN 118 CO -0.10 0.25 0.67 -0.91 -0.67 0.00 0.00 178.83 178.07 2ig3 h ASN 119 N 0.39 0.32 0.26 1.46 2.35 -0.75 0.12 115.58 119.72 2ig3 h ASN 119 Ca 0.13 0.05 -0.34 0.00 -0.55 0.00 0.00 56.30 55.59 2ig3 h ASN 119 Cb 0.01 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2ig3 h ASN 119 CO -0.06 0.08 -1.88 0.24 -1.65 0.00 0.00 177.43 174.16 2ig3 h MET 120 N 0.30 0.18 -0.03 0.81 2.86 -1.36 -3.21 114.93 114.48 2ig3 h MET 120 Ca 0.54 -0.31 -0.22 0.00 -2.06 0.00 0.00 59.70 57.64 2ig3 h MET 120 Cb 1.55 0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.33 2ig3 h MET 120 CO -0.19 0.98 -0.90 -0.07 1.06 0.00 0.00 176.91 177.79 2ig3 h LEU 121 N 0.05 0.61 -4.46 1.22 3.38 -0.83 -3.35 115.31 111.93 2ig3 h LEU 121 Ca -0.37 -0.46 -0.55 0.00 0.09 0.00 0.00 57.88 56.58 2ig3 h LEU 121 Cb 2.03 -0.18 -0.42 0.00 0.09 0.00 0.00 40.66 42.18 2ig3 h LEU 121 CO 0.09 1.25 -0.80 -1.22 0.09 0.00 0.00 178.44 177.86 2ig3 n TYR 122 N -3.79 3.03 -1.53 1.13 4.02 0.37 -5.08 117.16 115.31 2ig3 n TYR 122 Ca -0.07 -2.91 -0.45 0.00 -0.01 0.00 0.00 57.90 54.45 2ig3 n TYR 122 Cb 0.81 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.96 2ig3 n TYR 122 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2ig3 n LYS 123 N -0.48 0.95 0.00 -0.72 4.81 -1.21 -4.84 118.16 116.66 2ig3 n LYS 123 Ca 0.36 0.33 0.15 0.00 -0.87 0.00 0.00 58.31 58.29 2ig3 n LYS 123 Cb 0.73 -1.60 0.76 0.00 0.02 0.00 0.00 35.03 34.94 2ig3 n LYS 123 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55